Geometry & MOs

Info

ID:	209588
PubChem CID:	80690851
Reduced:	SN3O4C13H15 (1)
Stoich.:	AB3C4D13E15 (1)
Weight, g/mol:	313.098394
ΔH_f, kcal/mol:	-103.23
Dipole, Da:	4.61
IP(EA), eV:	-9.5(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,4S)-4-hydroxy-1-(2-phenylpropylsulfonyl)pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(CS(=O)(=O)NC1=NNC(=C1)C(=O)O)C2=CC=CC=C2

DOS

IR

Vibrations